Physicochemical Properties
| CAS # | 1425944-33-7 |
| Appearance | Typically exists as solid at room temperature |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | Bax |
| ln Vitro | Compound 49 (CYD-4-61), with IC50s of 0.07 µM against triple-negative breast cancer MDA-MB-231 and 0.06 µM against ER-positive breast cancer MCF-7 cell lines, respectively, has dramatically increased antiproliferative activity[1]. MCF-7 and MDA-MB-231 cells undergo apoptosis when exposed to CYD-4-61 (1 μM; 72 h)[1]. MDA-MB-231 and MCF-7 cells have higher numbers of cells with apoptotic bodies when exposed to CYD-4-61 (5 μM and 10 μM)[1]. CYD-4-61 (5 μM; 0-48 h) reduces the amount of p-Bax but raises the levels of cytochrome c, total Bax protein, and a number of apoptosis-related protein markers[1]. |
| ln Vivo | In a mouse xenograft model, CYD-4-61 (2.5 mg/kg; ip; once daily for 7 d) inhibits the growth of triple-negative breast tumors[1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: MCF-10A, T47D, MCF-7, MDA-MB-231, and MDA-MB-468 cells Tested Concentrations: 0.1, 1, and 10 μM Incubation Duration: 72 hrs (hours) Experimental Results: Inhibited triple-negative breast cancer MDA- MB-231 and ER-positive breast cancer MCF-7 cell lines proliferation and viability. Western Blot Analysis[1] Cell Types: MCF-7 and MDA-MB-231 cells Tested Concentrations: 5 μM Incubation Duration: 0, 6, 12, 24, and 48 hrs (hours) Experimental Results: Dose-dependently led to the upregulation of cleaved PARP-1, cleaved caspase 3, and downregulation of cyclin D1. |
| Animal Protocol |
Animal/Disease Models: Triple-negative breast cancer MDA-MB-231 xenograft model in mice[1] Doses: 2.5 mg/kg Route of Administration: intraperitoneal (ip)injection; one time/day for 7 days Experimental Results: Dramatically suppressed the growth of MDA-MB- 231 tumors with an inhibition rate of 55%. |
| References |
[1]. Structure-activity relationship studies on Bax activator SMBA1 for the treatment of ER-positive and triple-negative breast cancer. Eur J Med Chem. 2019 Sep 15;178:589-605. |
Solubility Data
| Solubility (In Vitro) | May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples |
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |